4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium

C10H20N5S+ — CID 7140542

IUPAC4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium
SMILESCC(C)(C)n1nnnc1C[NH+]1CCSCC1
InChIInChI=1S/C10H19N5S/c1-10(2,3)15-9(11-12-13-15)8-14-4-6-16-7-5-14/h4-8H2,1-3H3/p+1
InChIKeyTXIMXDSFEFYXPI-UHFFFAOYSA-O
MW242.37 g/mol
LogP-0.44
Rot. Bonds2

About 4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium

4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium (PubChem CID 7140542) has the molecular formula C10H20N5S+ and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium.

Molecular Properties

Compound Name4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium
PubChem CID7140542
Molecular FormulaC10H20N5S+
Molecular Weight242.37 g/mol
Exact Mass242.14
IUPAC Name4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium
SMILESCC(C)(C)n1nnnc1C[NH+]1CCSCC1
InChIInChI=1S/C10H19N5S/c1-10(2,3)15-9(11-12-13-15)8-14-4-6-16-7-5-14/h4-8H2,1-3H3/p+1
InChIKeyTXIMXDSFEFYXPI-UHFFFAOYSA-O
XLogP-0.44
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium?
The IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium (CID 7140542) is 4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium.
What is the SMILES notation for 4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium?
The canonical SMILES for 4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium is CC(C)(C)n1nnnc1C[NH+]1CCSCC1.
What is the InChIKey of 4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium?
The InChIKey is TXIMXDSFEFYXPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19N5S/c1-10(2,3)15-9(11-12-13-15)8-14-4-6-16-7-5-14/h4-8H2,1-3H3/p+1.
What are the key properties of 4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium?
4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium has a molecular weight of 242.37 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium is sourced from PubChem (CID 7140542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).